4-(6-methylnonan-3-yl)cyclohexane-1-carbonitrile

C17H31N — CID 143834076

IUPAC4-(6-methylnonan-3-yl)cyclohexane-1-carbonitrile
SMILESCCCC(C)CCC(CC)C1CCC(C#N)CC1
InChIInChI=1S/C17H31N/c1-4-6-14(3)7-10-16(5-2)17-11-8-15(13-18)9-12-17/h14-17H,4-12H2,1-3H3
InChIKeyKRGLAEFPEKXHFT-UHFFFAOYSA-N
MW249.44 g/mol
LogP5.56
Rot. Bonds7

About 4-(6-methylnonan-3-yl)cyclohexane-1-carbonitrile

4-(6-methylnonan-3-yl)cyclohexane-1-carbonitrile (PubChem CID 143834076) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is 4-(6-methylnonan-3-yl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-(6-methylnonan-3-yl)cyclohexane-1-carbonitrile
PubChem CID143834076
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name4-(6-methylnonan-3-yl)cyclohexane-1-carbonitrile
SMILESCCCC(C)CCC(CC)C1CCC(C#N)CC1
InChIInChI=1S/C17H31N/c1-4-6-14(3)7-10-16(5-2)17-11-8-15(13-18)9-12-17/h14-17H,4-12H2,1-3H3
InChIKeyKRGLAEFPEKXHFT-UHFFFAOYSA-N
XLogP5.56
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.44
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-cyclopropyl-4-methylnonan-1-amine
CID 154974947
4-propan-2-ylcyclohexane-1-carbonitrile
CID 160915372
1-hexan-3-yl-4-methylcyclohexane;propane
CID 143181984
3-cyclopropylpentan-1-amine
CID 64919361
4-[4-(2-methylpentoxy)phenyl]cyclohexane-1-carbonitrile
CID 22755298
pentan-3-ylcyclopropane
CID 19042038
4-(4-octan-2-yloxycyclohexyl)cyclohexane-1-carbonitrile
CID 57125938
(3R,6R)-3,6-dimethylnonane
CID 170848352
1-methyl-4-(6-methyloct-7-en-3-yl)cyclohexane
CID 123270008
4-[3-hydroxy-1-(4-methylcyclohexyl)propyl]cyclohexane-1-carbonitrile
CID 67829875
4-hexan-3-yloxane
CID 118974929
4-methylheptane
CID 91413347

Frequently Asked Questions

What is the IUPAC name of 4-(6-methylnonan-3-yl)cyclohexane-1-carbonitrile?
The IUPAC name of 4-(6-methylnonan-3-yl)cyclohexane-1-carbonitrile (CID 143834076) is 4-(6-methylnonan-3-yl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-(6-methylnonan-3-yl)cyclohexane-1-carbonitrile?
The canonical SMILES for 4-(6-methylnonan-3-yl)cyclohexane-1-carbonitrile is CCCC(C)CCC(CC)C1CCC(C#N)CC1.
What is the InChIKey of 4-(6-methylnonan-3-yl)cyclohexane-1-carbonitrile?
The InChIKey is KRGLAEFPEKXHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-4-6-14(3)7-10-16(5-2)17-11-8-15(13-18)9-12-17/h14-17H,4-12H2,1-3H3.
What are the key properties of 4-(6-methylnonan-3-yl)cyclohexane-1-carbonitrile?
4-(6-methylnonan-3-yl)cyclohexane-1-carbonitrile has a molecular weight of 249.44 g/mol, XLogP of 5.56, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methylnonan-3-yl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 143834076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).